N4-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide

• ChemBase ID: 863883
• Molecular Formular: C24H33N5O2
• Molecular Mass: 423.55112
• Monoisotopic Mass: 423.26342532
• SMILES: c12c(n(nc1)c1cc(c(cc1)C)C)CCCC2NC(=O)C1CCN(C(=O)N(C)C)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)N(C)C)NC1CCCc2c1cnn2c1ccc(c(c1)C)C
• InChI: InChI=1S/C24H33N5O2/c1-16-8-9-19(14-17(16)2)29-22-7-5-6-21(20(22)15-25-29)26-23(30)18-10-12-28(13-11-18)24(31)27(3)4/h8-9,14-15,18,21H,5-7,10-13H2,1-4H3,(H,26,30)
• InChIKey: RUWIZOOFCFCWDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide
• IUPAC Traditional name: N4-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide
• Synonyms: N~4~-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N~1~,N~1~-dimethyl-1,4-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.51007
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6106544
• LogD (pH = 7.4): 2.6107345
• Log P: 2.6107354
• Molar Refractivity: 123.1002 cm^3
• Polarizability: 46.8833 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -6.28
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3